6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole

C13H9BrClN3 — CID 118664283

IUPAC6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole
SMILESCc1ccc(Cl)c(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H9BrClN3/c1-8-2-5-11(15)13(17-8)18-12-6-10(14)4-3-9(12)7-16-18/h2-7H,1H3
InChIKeyUDDAJPGINPYGMD-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.14
Rot. Bonds1

About 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole

6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole (PubChem CID 118664283) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole
PubChem CID118664283
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole
SMILESCc1ccc(Cl)c(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H9BrClN3/c1-8-2-5-11(15)13(17-8)18-12-6-10(14)4-3-9(12)7-16-18/h2-7H,1H3
InChIKeyUDDAJPGINPYGMD-UHFFFAOYSA-N
XLogP4.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole (CID 118664283) is 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole is Cc1ccc(Cl)c(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole?
The InChIKey is UDDAJPGINPYGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-8-2-5-11(15)13(17-8)18-12-6-10(14)4-3-9(12)7-16-18/h2-7H,1H3.
What are the key properties of 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole?
6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole has a molecular weight of 322.59 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-chloro-6-methyl-2-pyridinyl)indazole is sourced from PubChem (CID 118664283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).